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	hartrees
Energy at 0K	-506.336840
Energy at 298.15K	-506.344360
HF Energy	-506.336840
Nuclear repulsion energy	448.052128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3617	3500	0.00
2	A₁'	1828	1769	0.00
3	A₁'	990	958	0.00
4	A₁'	664	643	0.00
5	A₂'	1382	1337	0.00
6	A₂'	1203	1164	0.00
7	A₂'	634	613	0.00
8	A₂"	766	741	96.29
9	A₂"	664	642	226.74
10	A₂"	135	131	3.66
11	E'	3615	3497	155.19
11	E'	3615	3497	155.20
12	E'	1803	1744	1026.54
12	E'	1803	1744	1026.60
13	E'	1454	1407	269.75
13	E'	1454	1407	269.65
14	E'	1406	1361	123.39
14	E'	1406	1361	123.41
15	E'	1026	993	18.59
15	E'	1026	993	18.60
16	E'	519	502	29.86
16	E'	519	502	29.85
17	E'	392	379	24.63
17	E'	392	379	24.64
18	E"	761	737	0.00
18	E"	761	737	0.00
19	E"	603	583	0.00
19	E"	603	583	0.00
20	E"	157	152	0.00
20	E"	157	152	0.00

Atom	x (Å)	y (Å)
C1	1.239	0.715
C2	-1.239	0.715
C3	0.000	-1.430
N4	0.000	1.338
N5	-1.158	-0.669
N6	1.158	-0.669
O7	2.283	1.318
O8	-2.283	1.318
O9	0.000	-2.637
H10	0.000	2.346
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4776	2.4776	1.3863	2.7680	1.3863	1.2061	3.5734	3.5734	2.0479	3.7765	2.0479
C2	2.4776		2.4776	1.3863	1.3863	2.7680	3.5734	1.2061	3.5734	2.0479	2.0479	3.7765
C3	2.4776	2.4776		2.7680	1.3863	1.3863	3.5734	3.5734	1.2061	3.7765	2.0479	2.0479
N4	1.3863	1.3863	2.7680		2.3167	2.3167	2.2834	2.2834	3.9741	1.0084	3.2296	3.2296
N5	2.7680	1.3863	1.3863	2.3167		2.3167	3.9741	2.2834	2.2834	3.2296	1.0084	3.2296
N6	1.3863	2.7680	1.3863	2.3167	2.3167		2.2834	3.9741	2.2834	3.2296	3.2296	1.0084
O7	1.2061	3.5734	3.5734	2.2834	3.9741	2.2834		4.5666	4.5666	2.5039	4.9825	2.5039
O8	3.5734	1.2061	3.5734	2.2834	2.2834	3.9741	4.5666		4.5666	2.5039	2.5039	4.9825
O9	3.5734	3.5734	1.2061	3.9741	2.2834	2.2834	4.5666	4.5666		4.9825	2.5039	2.5039
H10	2.0479	2.0479	3.7765	1.0084	3.2296	3.2296	2.5039	2.5039	4.9825		4.0634	4.0634
H11	3.7765	2.0479	2.0479	3.2296	1.0084	3.2296	4.9825	2.5039	2.5039	4.0634		4.0634
H12	2.0479	3.7765	2.0479	3.2296	3.2296	1.0084	2.5039	4.9825	2.5039	4.0634	4.0634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.655	C1	N4	H10	116.672
C1	N6	C3	126.655	C1	N6	H12	116.672
C2	N4	H10	116.672	C2	N5	C3	126.655
C2	N5	H11	116.672	C3	N5	H11	116.672
C3	N6	H12	116.672	N4	C1	N6	113.345
N4	C1	O7	123.328	N4	C2	N5	113.345
N4	C2	O8	123.328	N5	C2	O8	123.328
N5	C3	N6	113.345	N5	C3	O9	123.328
N6	C1	O7	123.328	N6	C3	O9	123.328

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H3N3O3 (cyanuric acid)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)